SCHEMBL838838

SCHEMBL838838

CC(=O)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HDAC6 Q9UBN7 5/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ENPP2 Q13822 2/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NOS1 P29475 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL839534 0.90 JAK2 (0.38) PARP1HDAC6HDAC1HDAC2HDAC8
SCHEMBL840608 0.89 HRH3 (0.41) PARP1HRH3ALDH1A1HDAC6HDAC1
SCHEMBL840699 0.86 HRH3 (0.41) PARP1HRH3ALDH1A1HDAC6HDAC1
SCHEMBL840715 0.85 HRH3 (0.40) PARP1HRH3ALDH1A1HDAC6HDAC1
SCHEMBL840087 0.83 NOS1 (0.41) PARP1HRH3ALDH1A1HDAC6HDAC1
SCHEMBL839466 0.80 ENPP2 (0.49) PARP1HRH3ALDH1A1PARP2ENPP2
SCHEMBL840609 0.79 JAK2 (0.38) PARP1HDAC6HDAC1HDAC2HDAC8
SCHEMBL840567 0.78 JAK2 (0.37) PARP1HDAC6HDAC1HDAC2HDAC8
SCHEMBL839137 0.77 JAK2 (0.36) HDAC6HDAC1HDAC2HDAC8TRPV3
SCHEMBL839474 0.73 ENPP2 (0.47) PARP1PARP2TRPV3ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US claimed
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP claimed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US claimed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 WO claimed
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 PARP1 2970/4885HRH3 18/4885ALDH1A1 3782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.